[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2-(3-oxidanyl-1-adamantyl)ethanoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2-(3-oxidanyl-1-adamantyl)ethanoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 2-(3-hydroxy-1-adamantyl)acetate CAS Name: 2-(3-hydroxy-1-adamantyl)acetic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 2-(3-hydroxy-1-adamantyl)acetate Traditional Name: 2-(3-hydroxy-1-adamantyl)acetic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C25H36O4 MolecularWeight: 400.55094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)CC45CC6CC(C4)CC(C6)(C5)O

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)CC45CC6CC(C4)CC(C6)(C5)O

InChI

InChI=1S/C25H36O4/c1-15(22(27)24-8-16-2-17(9-24)4-18(3-16)10-24)29-21(26)13-23-6-19-5-20(7-23)12-25(28,11-19)14-23/h15-20,28H,2-14H2,1H3